[(2R,5R)-5-{[(5-Fluoro-2-Pyridinyl)Oxy]Methyl}-2-Methyl-1-Piperidinyl][5-Fluoro-2-(2-Pyrimidinyl)Phenyl]Methanone

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Properties Simple | Detailed

Formula C23H22F2N4O2
IUPAC Name [(2r,5r)-5-[(5-fluoro-2-pyridyl)oxymethyl]-2-methyl-1-piperidyl]-(5-fluoro-2-pyrimidin-2-yl-phenyl)methanone
Molecular Mass 424.443 g·mol−1
Heat of Formation -391.2 ± 16.7 kJ·mol−1
Dipole Moment 6.59 ± 1.08 D
Volume 489.72 Å 3
Surface Area 367.44 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
InChIKey ADNQCBKNFSDDHY-HZPDHXFCSA-N
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